N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide

C16H22N2O4 — CID 147160524

IUPACN-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide
SMILESC#Cc1ccc(NC(=O)CCCOCCOCCOC)cn1
InChIInChI=1S/C16H22N2O4/c1-3-14-6-7-15(13-17-14)18-16(19)5-4-8-21-11-12-22-10-9-20-2/h1,6-7,13H,4-5,8-12H2,2H3,(H,18,19)
InChIKeyBVTDJMVBBKGREV-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.46
Rot. Bonds11

About N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide

N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide (PubChem CID 147160524) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide.

Molecular Properties

Compound NameN-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide
PubChem CID147160524
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide
SMILESC#Cc1ccc(NC(=O)CCCOCCOCCOC)cn1
InChIInChI=1S/C16H22N2O4/c1-3-14-6-7-15(13-17-14)18-16(19)5-4-8-21-11-12-22-10-9-20-2/h1,6-7,13H,4-5,8-12H2,2H3,(H,18,19)
InChIKeyBVTDJMVBBKGREV-UHFFFAOYSA-N
XLogP1.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
CID 162035650
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
CID 47416531
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-(5-ethynyl-2-pyridinyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 126503651
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide?
The IUPAC name of N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide (CID 147160524) is N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide.
What is the SMILES notation for N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide?
The canonical SMILES for N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide is C#Cc1ccc(NC(=O)CCCOCCOCCOC)cn1.
What is the InChIKey of N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide?
The InChIKey is BVTDJMVBBKGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-14-6-7-15(13-17-14)18-16(19)5-4-8-21-11-12-22-10-9-20-2/h1,6-7,13H,4-5,8-12H2,2H3,(H,18,19).
What are the key properties of N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide?
N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide has a molecular weight of 306.36 g/mol, XLogP of 1.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide is sourced from PubChem (CID 147160524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).